2-ethylhexyl 3-(3,8-dichloroimidazo[1,2-a]pyridin-7-yl)sulfanylpropanoate

C18H24Cl2N2O2S — CID 169177957

IUPAC2-ethylhexyl 3-(3,8-dichloroimidazo[1,2-a]pyridin-7-yl)sulfanylpropanoate
SMILESCCCCC(CC)COC(=O)CCSc1ccn2c(Cl)cnc2c1Cl
InChIInChI=1S/C18H24Cl2N2O2S/c1-3-5-6-13(4-2)12-24-16(23)8-10-25-14-7-9-22-15(19)11-21-18(22)17(14)20/h7,9,11,13H,3-6,8,10,12H2,1-2H3
InChIKeyWAIQNQAKIBOCNW-UHFFFAOYSA-N
MW403.38 g/mol
LogP5.88
Rot. Bonds10

About 2-ethylhexyl 3-(3,8-dichloroimidazo[1,2-a]pyridin-7-yl)sulfanylpropanoate

2-ethylhexyl 3-(3,8-dichloroimidazo[1,2-a]pyridin-7-yl)sulfanylpropanoate (PubChem CID 169177957) has the molecular formula C18H24Cl2N2O2S and a molecular weight of 403.38 g/mol. Its IUPAC name is 2-ethylhexyl 3-(3,8-dichloroimidazo[1,2-a]pyridin-7-yl)sulfanylpropanoate.

Molecular Properties

Compound Name2-ethylhexyl 3-(3,8-dichloroimidazo[1,2-a]pyridin-7-yl)sulfanylpropanoate
PubChem CID169177957
Molecular FormulaC18H24Cl2N2O2S
Molecular Weight403.38 g/mol
Exact Mass402.09
IUPAC Name2-ethylhexyl 3-(3,8-dichloroimidazo[1,2-a]pyridin-7-yl)sulfanylpropanoate
SMILESCCCCC(CC)COC(=O)CCSc1ccn2c(Cl)cnc2c1Cl
InChIInChI=1S/C18H24Cl2N2O2S/c1-3-5-6-13(4-2)12-24-16(23)8-10-25-14-7-9-22-15(19)11-21-18(22)17(14)20/h7,9,11,13H,3-6,8,10,12H2,1-2H3
InChIKeyWAIQNQAKIBOCNW-UHFFFAOYSA-N
XLogP5.88
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.38
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethylhexyl 3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]propanoate
CID 134182980
2-ethylhexyl 3-[[2-(azetidin-1-yl)-3-chloro-4-pyridinyl]sulfanyl]propanoate
CID 150312948
2-ethylhexyl 3-(1H-pyrazol-4-ylsulfanyl)propanoate
CID 168951446
2-ethylhexyl 3-[4-chloro-3-(3-methoxypropoxy)phenyl]sulfanylpropanoate
CID 155339755
4-bromo-3-chloro-2-iodoaniline;2-ethylhexyl 3-(6-amino-3-bromo-2-chlorophenyl)sulfanylpropanoate
CID 161488423
2-ethylhexyl 3-pyridin-3-ylsulfanylpropanoate;pyridine-3-thiol
CID 157250152
3-amino-5-chloro-1H-pyrazine-2-thione;2-ethylhexyl 3-(3-amino-5-chloropyrazin-2-yl)sulfanylpropanoate
CID 163539922
3-amino-5-chloro-1H-pyrazine-2-thione;3-bromo-6-chloropyrazin-2-amine;2-ethylhexyl 3-(3-amino-5-chloropyrazin-2-yl)sulfanylpropanoate
CID 157375391
2-ethylhexyl 3-[3-(1-ethylpyrazol-4-yl)-5-methoxyphenyl]sulfanylpropanoate
CID 138618914
2-ethylhexyl 3-[(2-cyano-3-hex-1-ynyl-4-pyridinyl)sulfanyl]propanoate
CID 134172886
2-ethylhexyl 3-(4-acetyl-2-nitrophenyl)sulfanylpropanoate
CID 58047494
ethyl 5-[3-(2-ethylhexoxy)-3-oxopropyl]sulfanyl-1-(2-fluorophenyl)pyrazole-3-carboxylate
CID 68748795

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl 3-(3,8-dichloroimidazo[1,2-a]pyridin-7-yl)sulfanylpropanoate?
The IUPAC name of 2-ethylhexyl 3-(3,8-dichloroimidazo[1,2-a]pyridin-7-yl)sulfanylpropanoate (CID 169177957) is 2-ethylhexyl 3-(3,8-dichloroimidazo[1,2-a]pyridin-7-yl)sulfanylpropanoate.
What is the SMILES notation for 2-ethylhexyl 3-(3,8-dichloroimidazo[1,2-a]pyridin-7-yl)sulfanylpropanoate?
The canonical SMILES for 2-ethylhexyl 3-(3,8-dichloroimidazo[1,2-a]pyridin-7-yl)sulfanylpropanoate is CCCCC(CC)COC(=O)CCSc1ccn2c(Cl)cnc2c1Cl.
What is the InChIKey of 2-ethylhexyl 3-(3,8-dichloroimidazo[1,2-a]pyridin-7-yl)sulfanylpropanoate?
The InChIKey is WAIQNQAKIBOCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24Cl2N2O2S/c1-3-5-6-13(4-2)12-24-16(23)8-10-25-14-7-9-22-15(19)11-21-18(22)17(14)20/h7,9,11,13H,3-6,8,10,12H2,1-2H3.
What are the key properties of 2-ethylhexyl 3-(3,8-dichloroimidazo[1,2-a]pyridin-7-yl)sulfanylpropanoate?
2-ethylhexyl 3-(3,8-dichloroimidazo[1,2-a]pyridin-7-yl)sulfanylpropanoate has a molecular weight of 403.38 g/mol, XLogP of 5.88, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl 3-(3,8-dichloroimidazo[1,2-a]pyridin-7-yl)sulfanylpropanoate is sourced from PubChem (CID 169177957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).